Vesuvianite Galuskin E V, Galuskina I O, Stadnicka K, Armbruster T, Kozanecki M The Canadian Mineralogist 45 (2007) 239-248 The crystal structure of Si-deficient, OH-substituted, boron-bearing vesuvianite from the Wiluy River, Sakha-Yakutia, Russia Locality: Wiluy River, Sakha-Yakutia, Russia _database_code_amcsd 0006135 15.678 15.678 11.828 90 90 90 *P4/nnc .25 .25 .25 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) CaX1 .75 .25 .75 .01807 .02298 .01571 .01553 0 0 0 CaX2 .68891 .04439 .87814 .01699 .01541 .01942 .01615 -.00147 .00182 .00096 CaX3 .40049 .18009 .60724 .02965 .02418 .02343 .04135 -.00186 .01190 -.00296 CaX'4 .75 -.25 .85351 .5 .01690 .0144 .0144 .0219 0 0 0 AlY'1 .75 -.25 .95483 .157 .0317 .0216 .0216 .0519 0 0 0 MgY'1 .75 -.25 .95483 .079 .0317 .0216 .0216 .0519 0 0 0 FeY'1 .75 -.25 .95483 .211 .0317 .0216 .0216 .0519 0 0 0 MnY'1 .75 -.25 .95483 .053 .0317 .0216 .0216 .0519 0 0 0 AlY2 .5 0 .5 .667 .01617 .01591 .01484 .01776 -.00044 -.00177 .00030 MgY2 .5 0 .5 .333 .01617 .01591 .01484 .01776 -.00044 -.00177 .00030 AlY3 .61234 .38005 .87360 .667 .01545 .01528 .01629 .01478 .00059 .00204 -.00107 MgY3 .61234 .38005 .87360 .333 .01545 .01528 .01629 .01478 .00059 .00204 -.00107 BT1 .4436 .0564 .75 .067 .05 BT2 .25 .25 .75 .216 .05 SiZ1 .75 .25 1 .748 .01093 .0108 .0108 .0111 0 0 0 SiZ2 .54229 .18060 .87209 .842 .01283 .01434 .01176 .01238 .00063 .00153 .00121 SiZ3 .65065 -.08408 .63561 .01705 .01509 .01972 .01632 -.00160 -.00068 .00177 O1 .72007 .32942 .91234 .748 .02004 .0190 .0208 .0204 -.0009 .0017 -.0045 OH1 .72007 .32942 .91234 .252 .02004 .0190 .0208 .0204 -.0009 .0017 -.0045 O2 .61819 .15945 .77901 .842 .01998 .0195 .0192 .0212 -.0007 .0003 .0016 OH2 .61819 .15945 .77901 .158 .01998 .0195 .0192 .0212 -.0007 .0003 .0016 O3 .54820 .27829 .92458 .842 .02002 .0223 .0212 .0166 .0023 .0002 .0019 OH3 .54820 .27829 .92458 .158 .02002 .0223 .0212 .0166 .0023 .0002 .0019 O4 .56310 .10551 .97153 .842 .01973 .0200 .0191 .0200 -.0016 .0026 -.0020 OH4 .56310 .10551 .97153 .158 .01973 .0200 .0191 .0200 -.0016 .0026 -.0020 O5 .67020 .01257 .67890 .01902 .0178 .0233 .0159 -.0044 -.0003 .0004 O6 .72558 -.12034 .55705 .02455 .0210 .0319 .0208 .0019 .0029 .0061 O7 .44543 .17227 .82196 .842 .03679 .0305 .0432 .0366 -.0053 .0001 .0032 OH7 .44543 .17227 .82196 .158 .03679 .0305 .0432 .0366 -.0053 .0001 .0032 O8 .59180 -.06063 .93132 .01796 .0180 .0180 .0179 -.0015 .0023 -.0006 O9 .64567 -.14567 .75 .02038 .0220 .0220 .0172 -.0007 .0007 .0007 O10 .25 .25 .64874 .91 .0672 .0508 .0508 .1001 0 0 0 Cl10 .25 .25 .64874 .09 .0672 .0508 .0508 .1001 0 0 0 O11 .43760 -.00323 .86201 .02173 .0221 .0226 .0205 .0009 .0008 .0031 H .4702 .0064 .8098 .7 .05